3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C11H14F2N2O2S — CID 107343819

IUPAC3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1CC1CNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H14F2N2O2S/c1-6-4-7(6)5-15-18(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,6-7,15H,4-5,14H2,1H3
InChIKeyXIZUJORJJHOIRT-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 107343819) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID107343819
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1CC1CNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H14F2N2O2S/c1-6-4-7(6)5-15-18(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,6-7,15H,4-5,14H2,1H3
InChIKeyXIZUJORJJHOIRT-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416435
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
3-amino-N-(1,4-dioxan-2-ylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343258
3-amino-N-(2,2-dicyclopropylethyl)-2,4-difluorobenzenesulfonamide
CID 107343649
3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343820
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
3-amino-N-but-3-enyl-2,4-difluorobenzenesulfonamide
CID 107343822

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 107343819) is 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is CC1CC1CNS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is XIZUJORJJHOIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-6-4-7(6)5-15-18(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,6-7,15H,4-5,14H2,1H3.
What are the key properties of 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 276.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107343819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).